Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
C4H10O | Propane, 2-methoxy- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCO | 1.416 | 1987Kuchitsu(II/15) | to end C | 5 | |||
rCO | 1.422 | 1987Kuchitsu(II/15) | to propyl side | 5 | 14 | ||
rCC | 1.528 | 1987Kuchitsu(II/15) | 6 | 14 | |||
rCC | 1.519 | 1987Kuchitsu(II/15) | 10 | 14 | |||
rCH | 1.090 | 1987Kuchitsu(II/15) | !assumed, propyl side, end C | 6 | 7 | ||
rCH | 1.095 | 1987Kuchitsu(II/15) | !assumed, propyl side, center C | 14 | 15 | ||
rCH | 1.095 | 1987Kuchitsu(II/15) | methyl side | 1 | 2 | ||
aCOC | 112.5 | 1987Kuchitsu(II/15) | 1 | 5 | 14 | ||
aCCO | 113.7 | 1987Kuchitsu(II/15) | 5 | 14 | 6 | ||
aCCO | 107.7 | 1987Kuchitsu(II/15) | 5 | 14 | 10 | ||
aCCC | 112.7 | 1987Kuchitsu(II/15) | 6 | 14 | 10 | ||
dCOCH | 47.0 | 1987Kuchitsu(II/15) | 1 | 5 | 14 | 15 | |
dCOCC | 71.9 | 1987Kuchitsu(II/15) | !assumed | 1 | 5 | 14 | 6 |
dCOCC | 162.6 | 1987Kuchitsu(II/15) | !assumed | 1 | 5 | 14 | 10 |
squib | reference |
---|---|
1987Kuchitsu(II/15) | Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987. |